Glycopyrrolate

C₁₉H₂₈BrNO₃CAS 596-51-0398.34 g/mol

Open in Covalent MOL file

Alcohol Ester Quaternary ammonium

Properties

Molecular formula: C₁₉H₂₈BrNO₃
Molar mass: 398.34 g/mol
Exact mass: 397.1253 Da
Melting point: 192.5 °C
logP: -0.54Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

H302 Harmful if swallowed23.5% of notifiers
H315 Causes skin irritation86.3% of notifiers
H319 Causes serious eye irritation86.3% of notifiers
H335 May cause respiratory irritation86.3% of notifiers

Aggregated from 51 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

596-51-0

SMILES

C[N+]1(C)CCC(OC(=O)C(O)(c2ccccc2)C2CCCC2)C1.[Br-]

InChIKey

VPNYRYCIDCJBOM-UHFFFAOYSA-M

InChI

InChI=1S/C19H28NO3.BrH/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15;/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3;1H/q+1;/p-1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

30 names · show all

Pyrrolidinium, 3-[(2-cyclopentyl-2-hydroxy-2-phenylacetyl)oxy]-1,1-dimethyl-, bromide (1:1)
3-Hydroxy-1,1-dimethylpyrrolidinium bromide α-cyclopentylmandelate
Pyrrolidinium, 3-hydroxy-1,1-dimethyl-, bromide, α-cyclopentylmandelate
Pyrrolidinium, 3-[(cyclopentylhydroxyphenylacetyl)oxy]-1,1-dimethyl-, bromide
AHR-504
1,1-Dimethyl-3-hydroxypyrrolidinium bromide α-cyclopentylmandelate
Glycopyrronium bromide
β-1-Methyl-3-pyrrolidyl-α-cyclopentylmandelate methobromide
Robinul
Glycopyrronium
Tarodyl
Asecryl
Gastrodyn
Nodapton
Robanul
Tarodyn
Glycopyrrolate bromide
Copyrrolate
NSC 250836
NSC 251251
NSC 251252
NVA 237
Seebri
Glycopyrrone bromide
Qbrexza
Cuvposa
Sialanar
Seebri breezhaler
Enurev breezhaler
Tovanor breezhaler

Work with Glycopyrrolate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Erythro-Glycopyrronium bromide51186-83-5Defined stereoisomer

Similar compounds

Methyl α-cyclopentyl-α-hydroxybenzeneacetate19833-96-658 % similar 1-Methyl-3-pyrrolidinyl α-cyclopentyl-α-hydroxybenzeneacetate13118-11-157 % similar Methyl α-cyclohexyl-α-hydroxybenzeneacetate10399-13-057 % similar Alpha-Cyclopentylmandelic acid427-49-652 % similar (+-)-Cyclohexylphenylglycolic acid4335-77-751 % similar Clidinium bromide3485-62-946 % similar Oxybutynin5633-20-545 % similar Flutropium bromide63516-07-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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